N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[(4-chloro-2-fluoro-phenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chloro-2-fluorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[(4-chloro-2-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-chloro-2-fluoro-benzyl)amine Formula: C22H22ClFN6O2 MolecularWeight: 456.900483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=C(C=C(C=C4)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=C(C=C(C=C4)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClFN6O2/c23-18-7-6-17(19(24)12-18)13-25-21-20(30(31)32)22(27-15-26-21)29-10-8-28(9-11-29)14-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13-14H2,(H,25,26,27)